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CHEBI:204266 - UK-78630

ChEBI IDCHEBI:204266
ChEBI NameUK-78630
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H56O9
Net Charge0
Average Mass668.868
Monoisotopic Mass668.39243
SMILESC/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](OC(=O)C(C)C)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
InChIInChI=1S/C39H56O9/c1-10-23(4)33-26(7)16-17-38(48-33)20-30-19-29(47-38)15-14-25(6)32(46-36(40)22(2)3)24(5)12-11-13-28-21-44-35-34(43-9)27(8)18-31(37(41)45-30)39(28,35)42/h10-14,18,22,24,26,29-35,42H,15-17,19-21H2,1-9H3/b12-11-,23-10+,25-14-,28-13-/t24-,26-,29+,30-,31-,32+,33+,34+,35+,38+,39+/m0/s1
InChIKeyPBMYZOQHPGMINM-WAKVIOIYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (1624368)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
UK-78630 (CHEBI:204266) is a milbemycin (CHEBI:50345)
IUPAC Name 
[(1R,4S,5'S,6R,6'S,8R,10Z,12R,13S,14Z,16Z,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-24-hydroxy-21-methoxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl] 2-methylpropanoate
Manual XrefsDatabases
78437112ChemSpider